3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate
TL;DR: 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate (CAS 63690-06-2) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aR,7R,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
Also Known As: 6-Acetylmorphine, Monoacetyl-alpha-isomorphine, alpha-Isomorphine, acetyl-, alpha-Isomorphine, monoacetyl-, Morphinan-3,6-beta-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, acetate
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 1.7689 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 772.8754 |
Chemical Identifiers
| CAS Number | 63690-06-2 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C |
Product Overview
3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate (CAS 63690-06-2), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: [(4R,4aR,7R,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate.
Chemical Property Profile of 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate
Property Insights of 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate
The XLogP value of 1.7689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate. With a topological polar surface area (TPSA) of 59.0 Ų, 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate?
The CAS number of 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate is 63690-06-2.
What is the molecular formula of 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate?
The molecular formula of 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate is C19H21NO4.
What is the molecular weight of 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate?
The molecular weight of 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate is 327.15 g/mol.
Where can I buy 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate?
You can request a quote for 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.